CID 51721

Brn 1604283

Structural Information

Molecular Formula
C26H25NO3
SMILES
CCOC(=O)CN1C2=C(C=C(C=C2C(C1=O)(C3=CC=CC=C3)C4=CC=CC=C4)C)C
InChI
InChI=1S/C26H25NO3/c1-4-30-23(28)17-27-24-19(3)15-18(2)16-22(24)26(25(27)29,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16H,4,17H2,1-3H3
InChIKey
XRMNPRUEDIOQMX-UHFFFAOYSA-N
Compound name
ethyl 2-(5,7-dimethyl-2-oxo-3,3-diphenylindol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.18344 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.19072 199.5
[M+Na]+ 422.17266 207.8
[M-H]- 398.17616 209.1
[M+NH4]+ 417.21726 213.7
[M+K]+ 438.14660 201.7
[M+H-H2O]+ 382.18070 189.5
[M+HCOO]- 444.18164 218.6
[M+CH3COO]- 458.19729 224.3
[M+Na-2H]- 420.15811 198.9
[M]+ 399.18289 202.8
[M]- 399.18399 202.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.